5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine

C10H14Br2N2 — CID 114870004

IUPAC5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine
SMILESCc1cc(N(C)C(C)CBr)ncc1Br
InChIInChI=1S/C10H14Br2N2/c1-7-4-10(13-6-9(7)12)14(3)8(2)5-11/h4,6,8H,5H2,1-3H3
InChIKeyIRMQQIGNCYNJPI-UHFFFAOYSA-N
MW322.04 g/mol
LogP3.37
Rot. Bonds3

About 5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine

5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine (PubChem CID 114870004) has the molecular formula C10H14Br2N2 and a molecular weight of 322.04 g/mol. Its IUPAC name is 5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine
PubChem CID114870004
Molecular FormulaC10H14Br2N2
Molecular Weight322.04 g/mol
Exact Mass319.95
IUPAC Name5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine
SMILESCc1cc(N(C)C(C)CBr)ncc1Br
InChIInChI=1S/C10H14Br2N2/c1-7-4-10(13-6-9(7)12)14(3)8(2)5-11/h4,6,8H,5H2,1-3H3
InChIKeyIRMQQIGNCYNJPI-UHFFFAOYSA-N
XLogP3.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.04
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine (CID 114870004) is 5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine is Cc1cc(N(C)C(C)CBr)ncc1Br.
What is the InChIKey of 5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine?
The InChIKey is IRMQQIGNCYNJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2N2/c1-7-4-10(13-6-9(7)12)14(3)8(2)5-11/h4,6,8H,5H2,1-3H3.
What are the key properties of 5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine?
5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine has a molecular weight of 322.04 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-bromopropan-2-yl)-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 114870004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).